3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)Cl)OC1

InChI

InChI=1S/C22H17ClN2O3S/c23-17-9-14(10-18-20(17)28-8-4-7-27-18)11-25-13-24-21-19(22(25)26)16(12-29-21)15-5-2-1-3-6-15/h1-3,5-6,9-10,12-13H,4,7-8,11H2